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1247801-01-9 | 3-[(4,5-dimethyl-1H-imidazol-1-yl)methyl]aniline
CAS No: 1247801-01-9 Catalog No: AG019TTY MDL No:MFCD16715652
Product Description
Catalog Number:
AG019TTY
Chemical Name:
3-[(4,5-dimethyl-1H-imidazol-1-yl)methyl]aniline
CAS Number:
1247801-01-9
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD16715652
IUPAC Name:
3-[(4,5-dimethylimidazol-1-yl)methyl]aniline
InChI:
InChI=1S/C12H15N3/c1-9-10(2)15(8-14-9)7-11-4-3-5-12(13)6-11/h3-6,8H,7,13H2,1-2H3
InChI Key:
QHEZDUTXXFYXIL-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1cnc(c1C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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